N-(cyclopropylmethyl)-2-(phenylcarbamoylamino)benzamide

C18H19N3O2 — CID 2812052

IUPACN-(cyclopropylmethyl)-2-(phenylcarbamoylamino)benzamide
SMILESO=C(Nc1ccccc1)Nc1ccccc1C(=O)NCC1CC1
InChIInChI=1S/C18H19N3O2/c22-17(19-12-13-10-11-13)15-8-4-5-9-16(15)21-18(23)20-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,19,22)(H2,20,21,23)
InChIKeyVUPPEHIIKQISJY-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.47
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(phenylcarbamoylamino)benzamide

N-(cyclopropylmethyl)-2-(phenylcarbamoylamino)benzamide (PubChem CID 2812052) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(phenylcarbamoylamino)benzamide
PubChem CID2812052
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(cyclopropylmethyl)-2-(phenylcarbamoylamino)benzamide
SMILESO=C(Nc1ccccc1)Nc1ccccc1C(=O)NCC1CC1
InChIInChI=1S/C18H19N3O2/c22-17(19-12-13-10-11-13)15-8-4-5-9-16(15)21-18(23)20-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,19,22)(H2,20,21,23)
InChIKeyVUPPEHIIKQISJY-UHFFFAOYSA-N
XLogP3.47
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(phenylcarbamoylamino)benzamide (CID 2812052) is N-(cyclopropylmethyl)-2-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(phenylcarbamoylamino)benzamide is O=C(Nc1ccccc1)Nc1ccccc1C(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(phenylcarbamoylamino)benzamide?
The InChIKey is VUPPEHIIKQISJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-17(19-12-13-10-11-13)15-8-4-5-9-16(15)21-18(23)20-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,19,22)(H2,20,21,23).
What are the key properties of N-(cyclopropylmethyl)-2-(phenylcarbamoylamino)benzamide?
N-(cyclopropylmethyl)-2-(phenylcarbamoylamino)benzamide has a molecular weight of 309.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 2812052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).